BDBM50413368 CHEMBL523000

SMILES: COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I

InChI Key: InChIKey=QWGYVISNASORKE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50413368   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 3 (RAT)	BDBM50413368 (CHEMBL523000) Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I Show InChI InChI=1S/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR				Bioorg Med Chem Lett 19: 1632-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.097 BindingDB Entry DOI: 10.7270/Q2DN44ZM
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50413368 (CHEMBL523000) Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I Show InChI InChI=1S/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR				Bioorg Med Chem Lett 19: 1632-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.097 BindingDB Entry DOI: 10.7270/Q2DN44ZM
					More data for this Ligand-Target Pair